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MDPI-ZINC03852492

 MMsINC code: MMs02183913
Type: Neutral
Formula: C14H14N2
SMILES:   N(=Nc1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C14H14N2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3/b16-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.28 g/mol  logS: -4.22552  SlogP: 4.71884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267628  Sterimol/B1: 2.74209  Sterimol/B2: 3.02756  Sterimol/B3: 3.40601
  Sterimol/B4: 3.48168  Sterimol/L: 15.9069 
 
 Surface and Volume Properties
  Accessible surface: 470.864  Positive charged surface: 274.143  Negative charged surface: 196.721  Volume: 225.5
  Hydrophobic surface: 470.864  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02183914
MDPI-ZINC03852492